(2S)-1-[(2-amino-1,3-thiazol-5-yl)sulfonyl]pyrrolidine-2-carboxylic acid

C8H11N3O4S2 — CID 88892692

IUPAC(2S)-1-[(2-amino-1,3-thiazol-5-yl)sulfonyl]pyrrolidine-2-carboxylic acid
SMILESNc1ncc(S(=O)(=O)N2CCC[C@H]2C(=O)O)s1
InChIInChI=1S/C8H11N3O4S2/c9-8-10-4-6(16-8)17(14,15)11-3-1-2-5(11)7(12)13/h4-5H,1-3H2,(H2,9,10)(H,12,13)/t5-/m0/s1
InChIKeyNKSWABDJDRTCMQ-YFKPBYRVSA-N
MW277.33 g/mol
LogP-0.04
Rot. Bonds3

About (2S)-1-[(2-amino-1,3-thiazol-5-yl)sulfonyl]pyrrolidine-2-carboxylic acid

(2S)-1-[(2-amino-1,3-thiazol-5-yl)sulfonyl]pyrrolidine-2-carboxylic acid (PubChem CID 88892692) has the molecular formula C8H11N3O4S2 and a molecular weight of 277.33 g/mol. Its IUPAC name is (2S)-1-[(2-amino-1,3-thiazol-5-yl)sulfonyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-[(2-amino-1,3-thiazol-5-yl)sulfonyl]pyrrolidine-2-carboxylic acid
PubChem CID88892692
Molecular FormulaC8H11N3O4S2
Molecular Weight277.33 g/mol
Exact Mass277.02
IUPAC Name(2S)-1-[(2-amino-1,3-thiazol-5-yl)sulfonyl]pyrrolidine-2-carboxylic acid
SMILESNc1ncc(S(=O)(=O)N2CCC[C@H]2C(=O)O)s1
InChIInChI=1S/C8H11N3O4S2/c9-8-10-4-6(16-8)17(14,15)11-3-1-2-5(11)7(12)13/h4-5H,1-3H2,(H2,9,10)(H,12,13)/t5-/m0/s1
InChIKeyNKSWABDJDRTCMQ-YFKPBYRVSA-N
XLogP-0.04
TPSA113.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(2-amino-1,3-thiazol-5-yl)sulfonyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-1-[(2-amino-1,3-thiazol-5-yl)sulfonyl]pyrrolidine-2-carboxylic acid (CID 88892692) is (2S)-1-[(2-amino-1,3-thiazol-5-yl)sulfonyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-[(2-amino-1,3-thiazol-5-yl)sulfonyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-[(2-amino-1,3-thiazol-5-yl)sulfonyl]pyrrolidine-2-carboxylic acid is Nc1ncc(S(=O)(=O)N2CCC[C@H]2C(=O)O)s1.
What is the InChIKey of (2S)-1-[(2-amino-1,3-thiazol-5-yl)sulfonyl]pyrrolidine-2-carboxylic acid?
The InChIKey is NKSWABDJDRTCMQ-YFKPBYRVSA-N. The full InChI is InChI=1S/C8H11N3O4S2/c9-8-10-4-6(16-8)17(14,15)11-3-1-2-5(11)7(12)13/h4-5H,1-3H2,(H2,9,10)(H,12,13)/t5-/m0/s1.
What are the key properties of (2S)-1-[(2-amino-1,3-thiazol-5-yl)sulfonyl]pyrrolidine-2-carboxylic acid?
(2S)-1-[(2-amino-1,3-thiazol-5-yl)sulfonyl]pyrrolidine-2-carboxylic acid has a molecular weight of 277.33 g/mol, XLogP of -0.04, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(2-amino-1,3-thiazol-5-yl)sulfonyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 88892692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).